3-(4-chlorophenyl)-1-(3-methylbutyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-(3-methylbutyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-1-(3-methylbutyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-4672 |
| Compound Name: | 3-(4-chlorophenyl)-1-(3-methylbutyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 372.85 |
| Molecular Formula: | C19 H21 Cl N4 O2 |
| Smiles: | CC(C)CCN1C(c2c(ncn2CC=C)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6018 |
| logD: | 3.6018 |
| logSw: | -3.6824 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.774 |
| InChI Key: | HCAHLRIQNXIXSG-UHFFFAOYSA-N |